2-butoxy-2,3-dihydrofuran-4-carbaldehyde

C9H14O3 — CID 91328062

IUPAC2-butoxy-2,3-dihydrofuran-4-carbaldehyde
SMILESCCCCOC1CC(C=O)=CO1
InChIInChI=1S/C9H14O3/c1-2-3-4-11-9-5-8(6-10)7-12-9/h6-7,9H,2-5H2,1H3
InChIKeyBAVXNJVNXGKSJF-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.63
Rot. Bonds5

About 2-butoxy-2,3-dihydrofuran-4-carbaldehyde

2-butoxy-2,3-dihydrofuran-4-carbaldehyde (PubChem CID 91328062) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-butoxy-2,3-dihydrofuran-4-carbaldehyde.

Molecular Properties

Compound Name2-butoxy-2,3-dihydrofuran-4-carbaldehyde
PubChem CID91328062
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-butoxy-2,3-dihydrofuran-4-carbaldehyde
SMILESCCCCOC1CC(C=O)=CO1
InChIInChI=1S/C9H14O3/c1-2-3-4-11-9-5-8(6-10)7-12-9/h6-7,9H,2-5H2,1H3
InChIKeyBAVXNJVNXGKSJF-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-Dihydro-1,3-dioxepine-6-carbaldehyde
CID 21666604
4-(1-Ethoxyethoxy)-2-methylidenebutanal
CID 11401029
4-(Methoxymethoxy)-2-methylidenebutanal
CID 13704059
2-(1,3-Dioxolan-2-ylmethyl)prop-2-enal
CID 91619183
(4-Formyl-2,3-dihydrofuran-2-yl) acetate
CID 130025901
4,4-Dimethoxy-2-methylidenebutanal
CID 130026365

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2,3-dihydrofuran-4-carbaldehyde?
The IUPAC name of 2-butoxy-2,3-dihydrofuran-4-carbaldehyde (CID 91328062) is 2-butoxy-2,3-dihydrofuran-4-carbaldehyde.
What is the SMILES notation for 2-butoxy-2,3-dihydrofuran-4-carbaldehyde?
The canonical SMILES for 2-butoxy-2,3-dihydrofuran-4-carbaldehyde is CCCCOC1CC(C=O)=CO1.
What is the InChIKey of 2-butoxy-2,3-dihydrofuran-4-carbaldehyde?
The InChIKey is BAVXNJVNXGKSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-4-11-9-5-8(6-10)7-12-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-butoxy-2,3-dihydrofuran-4-carbaldehyde?
2-butoxy-2,3-dihydrofuran-4-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2,3-dihydrofuran-4-carbaldehyde is sourced from PubChem (CID 91328062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).